REMARK  Name = LIG001094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.536   0.974  -0.178  0.00  0.00    +0.149 A 
ATOM      2  C   LIG    1       -2.741   1.277  -0.784  0.00  0.00    +0.116 A 
ATOM      3  S   LIG    1       -2.573   1.393  -2.484  0.00  0.00    -0.088 S 
ATOM      4  C   LIG    1       -0.924   0.945  -2.414  0.00  0.00    +0.059 A 
ATOM      5  C   LIG    1       -0.484   0.742  -1.121  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -4.040   1.542  -0.197  0.00  0.00    +0.257 C 
ATOM      7  N   LIG    1       -4.618   0.534   0.559  0.00  0.00    -0.297 N 
ATOM      8  C   LIG    1       -4.142  -0.833   0.720  0.00  0.00    +0.108 C 
ATOM      9  C   LIG    1       -5.363  -1.598   1.214  0.00  0.00    +0.020 C 
ATOM     10  C   LIG    1       -6.126  -0.542   2.005  0.00  0.00    +0.020 C 
ATOM     11  C   LIG    1       -5.921   0.714   1.171  0.00  0.00    +0.108 C 
ATOM     12  O   LIG    1       -4.628   2.611  -0.368  0.00  0.00    -0.269 OA
ENDBRANCH   2   6
BRANCH   5  13
ATOM     13  C   LIG    1        0.881   0.350  -0.765  0.00  0.00    +0.117 A 
ATOM     14  N   LIG    1        1.266   0.149   0.533  0.00  0.00    -0.129 NA
ATOM     15  N   LIG    1        2.547  -0.194   0.540  0.00  0.00    -0.064 NA
ATOM     16  N   LIG    1        2.965  -0.215  -0.738  0.00  0.00    -0.239 N 
ATOM     17  C   LIG    1        1.960   0.134  -1.593  0.00  0.00    +0.139 A 
BRANCH  16  18
ATOM     18  C   LIG    1        4.346  -0.523  -1.064  0.00  0.00    +0.195 C 
ATOM     19  C   LIG    1        4.567  -2.026  -1.076  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        3.757  -2.825  -1.543  0.00  0.00    -0.273 OA
ATOM     21  N   LIG    1        5.793  -2.473  -0.637  0.00  0.00    -0.255 N 
ATOM     22  H   LIG    1        5.936  -3.473  -0.687  0.00  0.00    +0.158 HD
ATOM     23  C   LIG    1        6.930  -1.726  -0.456  0.00  0.00    +0.219 C 
ATOM     24  O   LIG    1        8.029  -2.259  -0.347  0.00  0.00    -0.275 OA
ATOM     25  C   LIG    1        6.761  -0.227  -0.505  0.00  0.00    +0.099 C 
ATOM     26  C   LIG    1        5.343   0.175  -0.134  0.00  0.00    +0.045 C 
ENDBRANCH  16  18
ENDBRANCH   5  13
BRANCH   1  28
ATOM     27  C   LIG    1       -1.077   2.111   1.763  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -1.427   0.863   1.169  0.00  0.00    -0.493 OA
ENDBRANCH   1  28
TORSDOF 4